3,3-dimethyl-5-[5-[3-(3-methylphenyl)propyl]thiophen-2-yl]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[5-[3-(3-methylphenyl)propyl]thiophen-2-yl]pentanoic acid Openeye Name: 3,3-dimethyl-5-[5-[3-(m-tolyl)propyl]-2-thienyl]pentanoic acid CAS Name: 3,3-dimethyl-5-[5-[3-(3-methylphenyl)propyl]-2-thiophenyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-[5-[3-(3-methylphenyl)propyl]thiophen-2-yl]pentanoic acid Traditional Name: 3,3-dimethyl-5-[5-[3-(m-tolyl)propyl]-2-thienyl]valeric acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCC2=CC=C(S2)CCC(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CCCC2=CC=C(S2)CCC(C)(C)CC(=O)O

InChI

InChI=1S/C21H28O2S/c1-16-6-4-7-17(14-16)8-5-9-18-10-11-19(24-18)12-13-21(2,3)15-20(22)23/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3,(H,22,23)